ME-1111 (ME1111) is a novel and potent antifungal agent with activity against dermatophytes and can be used for topical treatment of onychomycosis.

Physicochemical Properties

Molecular Formula	C12H14N2O
Molecular Weight	202.2524
Exact Mass	202.11
CAS #	1391758-52-3
PubChem CID	60143882
Appearance	White to light yellow solid powder
LogP	2.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	15
Complexity	222
Defined Atom Stereocenter Count	0
InChi Key	VQXHPRBERPTLQW-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H14N2O/c1-8-4-5-11(12(15)6-8)14-10(3)7-9(2)13-14/h4-7,15H,1-3H3
Chemical Name	2-(3,5-dimethylpyrazol-1-yl)-5-methylphenol
Synonyms	ME1111 ME 1111 ME-1111
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

ln Vitro	Trichophyton mentagrophytes TIMM 2789 is inhibited by ME1111 with MICs of 0.25 μg/mL and 0.5 μg/mL in SDB and RPMI 1640 medium, respectively [1]. ME1111 primarily modifies cell membrane permeability [1]. ME1111 only exhibits modest inhibition in human cell lines, while it strongly inhibits the succinate-2,6-dichlorophenol reductase process in Trichophyton rubrum and Trichophyton mentagrophytes (IC50: 0.029 μg/mL, 0.025 μg/mL) [2].
Cell Assay	Cell viability assay[1] Cell Types: T. mentagrophytes TIMM 2789 Tested Concentrations: 0.125 μg/mL, 0.0625 μg/mL Incubation Duration: 4 hrs (hours), 8 hrs (hours), 24 hrs (hours) Experimental Results: Inhibition of mycelial growth in a dose-dependent and time-dependent manner dependent manner and induce various morphological changes.
References	[1]. Nishiyama Y, et al. Morphological Effect of the New Antifungal Agent ME1111 on Hyphal Growth of Trichophyton mentagrophytes, Determined by Scanning and Transmission Electron Microscopy. Antimicrob Agents Chemother. 2016 Dec 27;61(1). [2]. Takahata S, et al. Mechanism of Action of ME1111, a Novel Antifungal Agent for Topical Treatment of Onychomycosis. Antimicrob Agents Chemother. 2015 Nov 23;60(2):873-80.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~494.44 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (12.36 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (12.36 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (12.36 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.9444 mL	24.7219 mL	49.4438 mL
	5 mM	0.9889 mL	4.9444 mL	9.8888 mL
	10 mM	0.4944 mL	2.4722 mL	4.9444 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.